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@article{1585656, author = {Sojka, Martin and Toušek, Jaromír and Badri, Zahra and Foroutannejad, Cina and Nečas, Marek}, article_number = {15 September 2019}, doi = {http://dx.doi.org/10.1016/j.poly.2019.06.014}, keywords = {Hydrogen bonding; Phosphinoamines; Platinum complexes; Hirshfeld surface; QTAIM}, language = {eng}, issn = {0277-5387}, journal = {Polyhedron}, title = {Bifurcated hydrogen bonds in platinum(II) complexes with phosphinoamine ligands}, url = {https://www.sciencedirect.com/science/article/pii/S0277538719304255?via%3Dihub}, volume = {170}, year = {2019} }
TY - JOUR ID - 1585656 AU - Sojka, Martin - Toušek, Jaromír - Badri, Zahra - Foroutannejad, Cina - Nečas, Marek PY - 2019 TI - Bifurcated hydrogen bonds in platinum(II) complexes with phosphinoamine ligands JF - Polyhedron VL - 170 IS - 15 September 2019 SP - 593-601 EP - 593-601 PB - Pergamon Press SN - 02775387 KW - Hydrogen bonding KW - Phosphinoamines KW - Platinum complexes KW - Hirshfeld surface KW - QTAIM UR - https://www.sciencedirect.com/science/article/pii/S0277538719304255?via%3Dihub L2 - https://www.sciencedirect.com/science/article/pii/S0277538719304255?via%3Dihub N2 - In this work we report an investigation of the influence of bifurcated intramolecular hydrogen bonds on conformations of platinum(II) complexes with phosphinoamine ligands. The series of new cis and trans-PtCl2L2 complexes with phosphinoamine ligands was synthesized and characterized by H-1, P-31, Pt-195 NMR, IR, and molecular structures of 8 complexes were determined by X-ray crystallography. The hydrogen bonds are observed between NH center dot center dot center dot CIPt and NH center dot center dot center dot R (R = COOCH3, C(O)CH3, F, CN) moieties of the ligands and Pt core. The structural data from X-ray diffraction are linked to calculated conformational energies from density functional theory (DFT) and topological analysis results obtained from quantum theory of atoms in molecules (QTAIM) calculations. The most prominent NH center dot center dot center dot ClPt interactions are found in the cis complexes with para substituted phosphinoamine ligands, which show delocalization indexes (DI) up to 0.09. The ortho substituted phosphinoamine ligands decrease the DI values down to zero for C(O)OCH3 and C(O)CH3 moieties. (C) 2019 Elsevier Ltd. All rights reserved. ER -
SOJKA, Martin, Jaromír TOUŠEK, Zahra BADRI, Cina FOROUTANNEJAD and Marek NEČAS. Bifurcated hydrogen bonds in platinum(II) complexes with phosphinoamine ligands. \textit{Polyhedron}. Pergamon Press, 2019, vol.~170, 15 September 2019, p.~593-601. ISSN~0277-5387. Available from: https://dx.doi.org/10.1016/j.poly.2019.06.014.
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